2-Bromofluorobenzene-d4 - ≥98%(CP),≥98 atom% D , CAS No.50592-35-3

CAS: 50592-35-3 Cat. No.: B757456 Formula: C₆D₄BrF Molecular Weight: 179.02

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

o-Bromofluorobenzene-d4 | 1-Bromo-2-fluorobenzene-d4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

1-Bromo-2-fluorobenzene-d4 is the deuterium labeled 1-Bromo-2-fluorobenzene.

Specifications

Synonyms

o-Bromofluorobenzene-d4 | 1-Bromo-2-fluorobenzene-d4

Specifications & Purity

≥98%(CP),≥98 atom% D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(CP),≥98 atom% D

Names and Identifiers

Pubchem Sid

528775846

Canonical Smiles

C1=CC=C(C(=C1)F)Br

IUPAC Name

1-bromo-2,3,4,5-tetradeuterio-6-fluorobenzene

InChIKey

IPWBFGUBXWMIPR-RHQRLBAQSA-N

INCHI

1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])F)Br)[2H])[2H]

Alternate CAS

1072-85-1（unlabelled）

Molecular Weight

179.02

Reaxy-Rn

1071819

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071819&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Bromobenzenes Aryl fluorides Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y